Geometry & MOs

Info

ID:	310728
PubChem CID:	126584643
Reduced:	ON3C10H13 (1)
Stoich.:	AB3C10D13 (1)
Weight, g/mol:	287.188529
ΔH_f, kcal/mol:	-9.27
Dipole, Da:	8.79
IP(EA), eV:	-8.42(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-benzylpyrrolidin-1-yl)-3,3-dimethylpentane-1,2-dione

Drug info:

PubChemData

Smile

CC(C)N1C=NC2=C1C=C(CC2=O)N

DOS

IR

Vibrations